{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.562576 0 0.950455 ] [ 0.437424 0 0.450455 ] [ 0.062576 0.5 0.950455 ] [ 0.937424 0.5 0.450455 ] [ 0.883973 0.333302 0.540353 ] [ 0.116027 0.666698 0.040353 ] [ 0.116027 0.333302 0.040353 ] [ 0.883973 0.666698 0.540353 ] [ 0.67166 0 0.3697 ] [ 0.32834 0 0.8697 ] [ 0.383973 0.833302 0.540353 ] [ 0.616027 0.166698 0.040353 ] [ 0.616027 0.833302 0.040353 ] [ 0.383973 0.166698 0.540353 ] [ 0.17166 0.5 0.3697 ] [ 0.82834 0.5 0.8697 ] [ 0.814887 0 0.756307 ] [ 0.185113 0 0.256307 ] [ 0.314887 0.5 0.756307 ] [ 0.685113 0.5 0.256307 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.80655223362 "source-unit" "angstrom" } "b" { "source-value" 7.68229627345 "source-unit" "angstrom" } "c" { "source-value" 8.58306117 "source-unit" "angstrom" } }